4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium

C126H110N5O5+5 — CID 160708123

About 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium

4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium (PubChem CID 160708123) has the molecular formula C126H110N5O5+5 and a molecular weight of 1774.30 g/mol. Its IUPAC name is 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
• PubChem CID: 160708123
• Molecular Formula: C126H110N5O5+5
• Molecular Weight: 1774.30 g/mol
• Exact Mass: 1772.85
• IUPAC Name: 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
• SMILES: CCc1cc[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cccc[n+]1C
• InChI: InChI=1S/C28H26NO.C26H24NO.C25H22NO.C24H20NO.C23H18NO/c1-18-11-13-23-27-22-10-6-5-9-20(22)12-14-25(27)30-28(23)26(18)24-17-21(15-16-29(24)2)19-7-3-4-8-19;1-16(2)19-13-14-27(4)22(15-19)24-17(3)9-11-21-25-20-8-6-5-7-18(20)10-12-23(25)28-26(21)24;1-4-17-13-14-26(3)21(15-17)23-16(2)9-11-20-24-19-8-6-5-7-18(19)10-12-22(24)27-25(20)23;1-15-12-13-25(3)20(14-15)22-16(2)8-10-19-23-18-7-5-4-6-17(18)9-11-21(23)26-24(19)22;1-15-10-12-18-22-17-8-4-3-7-16(17)11-13-20(22)25-23(18)21(15)19-9-5-6-14-24(19)2/h5-6,9-17,19H,3-4,7-8H2,1-2H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3;3-14H,1-2H3/q5*+1
• InChIKey: PLIMEZSJJCWNLF-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1774.30
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium?

The IUPAC name of 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium (CID 160708123) is 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium.

What is the SMILES notation for 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium?

The canonical SMILES for 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium is CCc1cc[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cccc[n+]1C.

What is the InChIKey of 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium?

The InChIKey is PLIMEZSJJCWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26NO.C26H24NO.C25H22NO.C24H20NO.C23H18NO/c1-18-11-13-23-27-22-10-6-5-9-20(22)12-14-25(27)30-28(23)26(18)24-17-21(15-16-29(24)2)19-7-3-4-8-19;1-16(2)19-13-14-27(4)22(15-19)24-17(3)9-11-21-25-20-8-6-5-7-18(20)10-12-23(25)28-26(21)24;1-4-17-13-14-26(3)21(15-17)23-16(2)9-11-20-24-19-8-6-5-7-18(19)10-12-22(24)27-25(20)23;1-15-12-13-25(3)20(14-15)22-16(2)8-10-19-23-18-7-5-4-6-17(18)9-11-21(23)26-24(19)22;1-15-10-12-18-22-17-8-4-3-7-16(17)11-13-20(22)25-23(18)21(15)19-9-5-6-14-24(19)2/h5-6,9-17,19H,3-4,7-8H2,1-2H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3;3-14H,1-2H3/q5*+1.

What are the key properties of 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium?

4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium has a molecular weight of 1774.30 g/mol, XLogP of 31.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium is sourced from PubChem (CID 160708123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).